1-(Furan-2-yl)-2-(pyrimidin-4-yl)ethan-1-one
Basic information
- CAS
851371-60-3- Standard SMILES
O=C(Cc1ccncn1)c1ccco1- InChIKey
BMJPLABOHAJTGU-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 1-(Furan-2-yl)-2-(pyrimidin-4-yl)ethan-1-one
- IUPAC
- 1-(furan-2-yl)-2-pyrimidin-4-ylethanone
- English name
- Ethanone, 1-(2-furanyl)-2-(4-pyriMidinyl)-
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
851371-60-31-(Furan-2-yl)-2-(pyrimidin-4-yl)ethan-1-one1-Furan-2-yl-2-pyrimidin-4-yl-ethanone1-(furan-2-yl)-2-pyrimidin-4-ylethanone1 -(2-Furyl)-2-pyrimidin-4-ylethanone1-(2-furyl)-2-pyrimidin-4-ylethanoneSCHEMBL3058893DTXSID60587347BMJPLABOHAJTGU-UHFFFAOYSA-NAKOS015855455DA-41196A1-03921
Show more names
1-furan-2-yl-2-pyrimidin-4-ylethanoneEthanone, 1-(2-furanyl)-2-(4-pyriMidinyl)-
Database identifiers
- CAS
851371-60-3- PubChem CID
- 16720107
- DTXSID
DTXSID60587347
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 128 · 128-130℃
- Boiling point
- 351.5 · 351.5±22.0 °C(Predicted)
- Density
- 1.246 · 1.246
- pka
- 1.31 · 1.31±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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